Name: Name:5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
Brand: Angene
SKU: AG00278S
Rating: 90 (10 reviews)

5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

CAS No.:

179732-64-0

Catalog Number:

AG00278S

Molecular Formula:

C6H5F3N2O2

Molecular Weight:

194.1113

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Catalog Number:

AG00278S

Chemical Name:

5-Hydroxy-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

CAS Number:

179732-64-0

Molecular Formula:

C6H5F3N2O2

Molecular Weight:

194.1113

MDL Number:

MFCD12827694

IUPAC Name:

2-methyl-3-oxo-5-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

InChI:

InChI=1S/C6H5F3N2O2/c1-11-5(13)3(2-12)4(10-11)6(7,8)9/h2,10H,1H3

InChI Key:

DHVRPQMAMMGYLA-UHFFFAOYSA-N

SMILES:

O=Cc1c(O)n(nc1C(F)(F)F)C

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.113g/mol

Monoisotopic Mass:

194.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5